Details of the Drug

General Information of Drug (ID: DMD16MH)

Drug Name
UCM 765
Synonyms UCM-765; UCM765
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 284.35
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H20N2O2
IUPAC Name
N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide
Canonical SMILES
CC(=O)NCCN(C1=CC=CC=C1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H20N2O2/c1-14(20)18-12-13-19(15-6-4-3-5-7-15)16-8-10-17(21-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKey
PWTCGLHUMIIRML-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24749950
TTD ID
D0TM0N

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Melatonin receptor type 1A (MTNR1A) TT0WAIE MTR1A_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Melatonin receptor type 1A (MTNR1A) DTT MTNR1A 5.71E-01 -0.08 -0.54
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7923).
2 N-(substituted-anilinoethyl)amides: design, synthesis, and pharmacological characterization of a new class of melatonin receptor ligands. J Med Chem. 2007 Dec 27;50(26):6618-26.